⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30169192 | 0.68 | — | — | |
| SCHEMBL31745346 | 0.68 | — | — | |
| SCHEMBL1760199 | 0.56 | — | — | |
| SCHEMBL5967952 | 0.56 | — | — | |
| SCHEMBL379613 | 0.55 | — | — | |
| SCHEMBL3225189 | 0.55 | — | — | |
| SCHEMBL11289862 | 0.55 | IDO1 (0.42) | — | |
| SCHEMBL11289858 | 0.55 | IDO1 (0.42) | — | |
| SCHEMBL11289860 | 0.55 | IDO1 (0.42) | — | |
| SCHEMBL29190318 | 0.54 | MGLL (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937077-A1 | PYRIDONE-FUSED AZABICYCLIC- OR CYTISINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN ADDICTION THERAPY | PFIZER INC. (US) | 1999-08-25 | — | — | EP | claimed |
| WO-1998018798-A1 | PYRIDONE-FUSED AZABICYCLIC- OR CYTISINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN ADDICTION THERAPY | PFIZER INC. (US) | 1998-05-07 | — | — | WO | claimed |
| EP-2885285-A1 | PYRAZOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION | Boehringer Ingelheim International GmbH (DE) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014014874-A1 | PYRAZOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-23 | — | — | WO | disclosed |